UCSF

ZINC44649871

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.26 2.49 -41.85 2 5 1 49 256.37 5
Hi High (pH 8-9.5) -0.26 1.12 -8.63 1 5 0 45 255.362 5
Mid Mid (pH 6-8) -0.26 4.78 -96.56 3 5 2 51 257.378 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )